N-hydroxy-6-[[4-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyphenyl]sulfamoyl]hexanamide

C27H30N4O8S2 — CID 143129564

IUPACN-hydroxy-6-[[4-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyphenyl]sulfamoyl]hexanamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NOc1ccc(NS(=O)(=O)CCCCCC(=O)NO)cc1
InChIInChI=1S/C27H30N4O8S2/c32-26(28-34)12-5-2-6-19-40(35,36)30-23-14-16-24(17-15-23)39-29-27(33)18-13-21-8-7-11-25(20-21)41(37,38)31-22-9-3-1-4-10-22/h1,3-4,7-11,13-18,20,30-31,34H,2,5-6,12,19H2,(H,28,32)(H,29,33)/b18-13+
InChIKeyFADODYNIYYZIEM-QGOAFFKASA-N
MW602.69 g/mol
LogP3.42
Rot. Bonds15

About N-hydroxy-6-[[4-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyphenyl]sulfamoyl]hexanamide

N-hydroxy-6-[[4-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyphenyl]sulfamoyl]hexanamide (PubChem CID 143129564) has the molecular formula C27H30N4O8S2 and a molecular weight of 602.69 g/mol. Its IUPAC name is N-hydroxy-6-[[4-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyphenyl]sulfamoyl]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[[4-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyphenyl]sulfamoyl]hexanamide
PubChem CID143129564
Molecular FormulaC27H30N4O8S2
Molecular Weight602.69 g/mol
Exact Mass602.15
IUPAC NameN-hydroxy-6-[[4-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyphenyl]sulfamoyl]hexanamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NOc1ccc(NS(=O)(=O)CCCCCC(=O)NO)cc1
InChIInChI=1S/C27H30N4O8S2/c32-26(28-34)12-5-2-6-19-40(35,36)30-23-14-16-24(17-15-23)39-29-27(33)18-13-21-8-7-11-25(20-21)41(37,38)31-22-9-3-1-4-10-22/h1,3-4,7-11,13-18,20,30-31,34H,2,5-6,12,19H2,(H,28,32)(H,29,33)/b18-13+
InChIKeyFADODYNIYYZIEM-QGOAFFKASA-N
XLogP3.42
TPSA180.00 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.69
LogP ≤ 53.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 86591900
methyl (E)-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 20780474
3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid
CID 67019652
3-[3-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 3530027
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyoxane-2-carboxylic acid
CID 91800105
(E)-3-[3-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 20780415
(E)-3-[3-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 22492405
(E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide
CID 59571949
N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide
CID 74014271
methyl 3-[3-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 67019511
ethyl 5-(phenylsulfamoyl)pentanoate
CID 20780460
cyclopentyl (2S)-2-[[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]sulfonylamino]-2-phenylacetate
CID 91549188

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[[4-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyphenyl]sulfamoyl]hexanamide?
The IUPAC name of N-hydroxy-6-[[4-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyphenyl]sulfamoyl]hexanamide (CID 143129564) is N-hydroxy-6-[[4-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyphenyl]sulfamoyl]hexanamide.
What is the SMILES notation for N-hydroxy-6-[[4-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyphenyl]sulfamoyl]hexanamide?
The canonical SMILES for N-hydroxy-6-[[4-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyphenyl]sulfamoyl]hexanamide is O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NOc1ccc(NS(=O)(=O)CCCCCC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-6-[[4-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyphenyl]sulfamoyl]hexanamide?
The InChIKey is FADODYNIYYZIEM-QGOAFFKASA-N. The full InChI is InChI=1S/C27H30N4O8S2/c32-26(28-34)12-5-2-6-19-40(35,36)30-23-14-16-24(17-15-23)39-29-27(33)18-13-21-8-7-11-25(20-21)41(37,38)31-22-9-3-1-4-10-22/h1,3-4,7-11,13-18,20,30-31,34H,2,5-6,12,19H2,(H,28,32)(H,29,33)/b18-13+.
What are the key properties of N-hydroxy-6-[[4-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyphenyl]sulfamoyl]hexanamide?
N-hydroxy-6-[[4-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyphenyl]sulfamoyl]hexanamide has a molecular weight of 602.69 g/mol, XLogP of 3.42, 15 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[[4-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyphenyl]sulfamoyl]hexanamide is sourced from PubChem (CID 143129564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).